5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine

C24H25N9O — CID 134455414

IUPAC5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1cc(-c2cncn2C)ccc1Nc1cc(Nc2cnc(C)c(C)n2)nc2nc(C)[nH]c12
InChIInChI=1S/C24H25N9O/c1-13-14(2)27-22(11-26-13)31-21-9-18(23-24(32-21)29-15(3)28-23)30-17-7-6-16(8-20(17)34-5)19-10-25-12-33(19)4/h6-12H,1-5H3,(H3,27,28,29,30,31,32)
InChIKeyNMWYXQRLPLCUAC-UHFFFAOYSA-N
MW455.53 g/mol
LogP4.57
Rot. Bonds6

About 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine

5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455414) has the molecular formula C24H25N9O and a molecular weight of 455.53 g/mol. Its IUPAC name is 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134455414
Molecular FormulaC24H25N9O
Molecular Weight455.53 g/mol
Exact Mass455.22
IUPAC Name5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1cc(-c2cncn2C)ccc1Nc1cc(Nc2cnc(C)c(C)n2)nc2nc(C)[nH]c12
InChIInChI=1S/C24H25N9O/c1-13-14(2)27-22(11-26-13)31-21-9-18(23-24(32-21)29-15(3)28-23)30-17-7-6-16(8-20(17)34-5)19-10-25-12-33(19)4/h6-12H,1-5H3,(H3,27,28,29,30,31,32)
InChIKeyNMWYXQRLPLCUAC-UHFFFAOYSA-N
XLogP4.57
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134455414) is 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine is COc1cc(-c2cncn2C)ccc1Nc1cc(Nc2cnc(C)c(C)n2)nc2nc(C)[nH]c12.
What is the InChIKey of 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is NMWYXQRLPLCUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9O/c1-13-14(2)27-22(11-26-13)31-21-9-18(23-24(32-21)29-15(3)28-23)30-17-7-6-16(8-20(17)34-5)19-10-25-12-33(19)4/h6-12H,1-5H3,(H3,27,28,29,30,31,32).
What are the key properties of 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine?
5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 455.53 g/mol, XLogP of 4.57, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).